ChemSpider 2D Image | N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-3-phenyl-2-propanyl]amino}ethyl]phenyl}methanesulfonamide | C32H42N2O9S

N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-3-phenyl-2-propanyl]amino}ethyl]phenyl}methanesulfonamide

  • Molecular FormulaC32H42N2O9S
  • Average mass630.749 Da
  • Monoisotopic mass630.261108 Da
  • ChemSpider ID9597660

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Methanesulfonamide, N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[2-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-1-(phenylmethyl)ethyl]amino]ethyl]phenyl]- [ACD/Index Name]
N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-3-phenyl-2-propanyl]amino}ethyl]phenyl}methanesulfonamide [ACD/IUPAC Name]
N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadécin-15-yl)-3-phényl-2-propanyl]amino}éthyl]phényl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{2-Hydroxy-5-[(1R)-1-hydroxy-2-{[1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-3-phenyl-2-propanyl]amino}ethyl]phenyl}methansulfonamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 809.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.3±37.1 °C
Index of Refraction: 1.580
Molar Refractivity: 166.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 27.89
Polar Surface Area: 153 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 501.2±3.0 cm3

Click to predict properties on the Chemicalize site


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